Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29847319 | 0.89 | ALDH1A1 (0.51) | ALDH1A1PKMGLATP53TSHR | |
| SCHEMBL11741482 | 0.88 | ALDH1A1 (0.45) | ALDH1A1PKMGLATP53TSHR | |
| SCHEMBL30524198 | 0.83 | ALDH1A1 (0.49) | ALDH1A1PKMGLATP53TSHR | |
| SCHEMBL4892470 | 0.83 | ALDH1A1 (0.49) | ALDH1A1PKMGLATP53TSHR | |
| SCHEMBL6075086 | 0.83 | ALDH1A1 (0.53) | ALDH1A1PKMGLATP53TSHR | |
| SCHEMBL31710828 | 0.83 | PKM (0.49) | ALDH1A1PKMSMN1; SMN2RAB9AMAPT | |
| SCHEMBL10407181 | 0.81 | ALDH1A1 (0.49) | ALDH1A1PKMGLATP53TSHR | |
| SCHEMBL10407182 | 0.81 | ALDH1A1 (0.46) | ALDH1A1PKMGLATP53TSHR | |
| SCHEMBL1044544 | 0.81 | ALDH1A1 (0.50) | ALDH1A1PKMGLATP53TSHR | |
| SCHEMBL21296293 | 0.81 | ALDH1A1 (0.50) | ALDH1A1GLATP53TSHRSMN1; SMN2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5010198-A | Intermediates for the synthesis of benzoxazol- and benzothiazolamine derivatives, useful as anti-anoxic agents | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-04-23 | — | — | US | disclosed |
| EP-0184257-B1 | BENZOXAZOL- AND BENZOTHIAZOLAMINE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1990-07-25 | — | — | EP | disclosed |
| US-4861785-A | Benzoxazol-and benzothiazolamine derivatives, useful as anti-anoxic agents | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-08-29 | — | — | US | disclosed |
| EP-0184257-A1 | Benzoxazol- and benzothiazolamine derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1986-06-11 | — | — | EP | disclosed |